Atomistic Level Molecular Dynamics Analysis and its Integrity in the Interim of Irradiation

Author:

Willie Ahli K.D.1,Zhao Hong Tao2,Annor-Nyarko M.

Affiliation:

1. Harbin Engineering University

2. Heilongjiang Academy of Sciences

Abstract

In this work, molecular dynamics (MD) simulation was utilized in relation to access the thermal conductivity of UO2, PuO2 and (U, Pu)O2 in temperature range of 500–3000 K. Diffusion study on mixed oxide (MOX) was also performed to assess the effect of radiation damage by heavy ions at burnup temperatures. Analysis of the lattice thermal conductivity of irradiated MOX to its microstructure was carried out to enhance the irradiation defects with how high burnup hinders fuel properties and its pellet-cladding interaction. Fission gas diffusion as determined was mainly modelled by main diffusion coefficient. Degradation of diffusivity is predicted in MOX as composition deviate from the pure end members. The concentration of residual anion defects is considerably higher than that of cations in all oxides. Depending on the diffusion behavior of the fuel lattice, there was decrease in the ratio of anion to cation defects with increasing temperature. Besides, the modern mixed oxide fuel releases fission gas compared to that of UO2 fuel at moderate burnups.

Publisher

Trans Tech Publications, Ltd.

Subject

Condensed Matter Physics,General Materials Science,Atomic and Molecular Physics, and Optics

Reference21 articles.

1. Y. Guerin, G. S. Was, S. J. Zinkle, Materials Challenges for Advanced Nuclear Energy Systems. MRS Bulletin 34 (1), (2009) 10-14.

2. Basic Research Needs for Advanced Nuclear Energy Systems: Report of the Basic Energy Sciences Workshop on Basic Research Needs for Advanced Nuclear Energy Systems; U.S. Department of Energy Office of Basic Energy Sciences: (2006).

3. Simulation Based Engineering Science - Revolutionizing Engineering Science through Simulation; National Science Foundation: (2006).

4. G. S. Was, Fundamentals of Radiation Materials Science (Springer, Heidelberg, 2007).

5. M. S. Veshchunov, R. Dubourg, V. D. Ozrin, V. E. Shestak, and V. I. Tarasov. 2007. Mechanistic Modelling of Urania Fuel Evolution and Fission Product Migration during 320 Irradiation and Heating., Journal of Nuclear Materials. 321 https://doi.org/10.1016/j.jnucmat.2007.01.081.

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3